#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcb n VAL 3 N 0.00 1.28 -0.53 -0.18 3.14 -1.26 -4.90 118.33 115.88 1xcb n VAL 3 Ca 0.00 -0.32 -0.28 0.00 -2.96 0.00 0.00 64.34 60.78 1xcb n VAL 3 Cb 0.00 -1.06 0.21 0.00 -1.06 0.00 0.00 33.84 31.93 1xcb n VAL 3 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1xcb n PRO 4 N 1.46 -2.47 0.03 1.45 -0.04 -1.26 -4.95 135.00 129.22 1xcb n PRO 4 Ca 0.12 -0.71 -0.22 0.00 -0.04 0.00 0.00 63.50 62.65 1xcb n PRO 4 Cb 0.29 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1xcb n PRO 4 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xcb h GLU 5 N -2.58 0.29 0.00 0.54 4.81 -2.01 -3.30 114.58 112.32 1xcb h GLU 5 Ca -0.49 -0.49 -0.03 0.00 -0.13 0.00 0.00 59.36 58.22 1xcb h GLU 5 Cb 1.24 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1xcb h GLU 5 CO 0.35 1.24 -0.13 0.00 -0.73 0.00 0.00 179.01 179.73 1xcb h ALA 6 N 0.01 1.57 0.35 2.92 0.00 -1.99 -2.46 119.26 119.66 1xcb h ALA 6 Ca -0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xcb h ALA 6 Cb 1.90 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1xcb h ALA 6 CO 0.09 0.16 -0.43 0.00 0.00 0.00 0.00 179.25 179.08 1xcb h ALA 7 N 1.87 -0.90 -0.86 0.00 0.00 -1.93 0.45 119.26 117.89 1xcb h ALA 7 Ca -0.00 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1xcb h ALA 7 Cb 0.27 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1xcb h ALA 7 CO 0.02 -1.05 0.58 0.82 0.00 0.00 0.00 179.25 179.61 1xcb h ILE 8 N -0.82 0.68 -0.00 0.00 5.03 -1.57 0.48 117.51 121.30 1xcb h ILE 8 Ca -0.03 -0.11 -0.11 0.00 -0.12 0.00 0.00 64.86 64.49 1xcb h ILE 8 Cb 0.75 0.32 -0.02 0.00 -3.03 0.00 0.00 36.82 34.84 1xcb h ILE 8 CO -0.11 0.06 -0.52 0.28 -0.68 0.00 0.00 178.15 177.19 1xcb h SER 9 N 0.33 0.01 -0.08 1.72 0.02 -0.93 -2.32 113.55 112.30 1xcb h SER 9 Ca 0.44 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.17 1xcb h SER 9 Cb 1.19 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1xcb h SER 9 CO -0.14 0.52 -0.76 0.03 -1.14 0.00 0.00 176.83 175.35 1xcb h ARG 10 N 0.01 0.73 -0.32 3.45 3.08 0.20 -2.63 114.38 118.89 1xcb h ARG 10 Ca -0.00 -0.59 -0.03 0.00 0.07 0.00 0.00 59.98 59.43 1xcb h ARG 10 Cb 0.91 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1xcb h ARG 10 CO 0.07 1.20 0.07 -0.07 -1.07 0.00 0.00 179.97 180.17 1xcb h LEU 11 N 0.50 0.43 -0.80 3.04 3.38 -0.86 0.15 115.31 121.15 1xcb h LEU 11 Ca -0.05 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1xcb h LEU 11 Cb 1.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1xcb h LEU 11 CO 0.15 0.44 -0.34 0.40 0.09 0.00 0.00 178.44 179.19 1xcb h ILE 12 N 0.46 1.29 -0.29 1.22 2.04 -1.34 -1.86 117.51 119.03 1xcb h ILE 12 Ca 0.11 -1.45 -0.19 0.00 1.00 0.00 0.00 64.86 64.33 1xcb h ILE 12 Cb 0.20 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1xcb h ILE 12 CO -0.00 0.46 -0.55 0.74 0.00 0.00 0.00 178.15 178.79 1xcb h THR 13 N 0.43 1.27 -0.54 -0.27 2.02 -0.73 -3.03 112.91 112.07 1xcb h THR 13 Ca 0.05 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.44 1xcb h THR 13 Cb 0.80 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1xcb h THR 13 CO 0.07 0.57 0.08 1.88 0.37 0.00 0.00 175.52 178.48 1xcb h TYR 14 N 0.68 0.90 0.15 3.16 0.99 -0.60 -3.00 116.97 119.24 1xcb h TYR 14 Ca 0.01 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 1xcb h TYR 14 Cb 1.16 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 38.64 1xcb h TYR 14 CO 0.07 0.78 -0.07 1.25 -0.00 0.00 0.00 178.16 180.19 1xcb h LEU 15 N 0.81 -0.17 -0.04 3.88 6.46 -1.25 -0.78 115.31 124.22 1xcb h LEU 15 Ca 0.17 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1xcb h LEU 15 Cb 0.38 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 1xcb h LEU 15 CO 0.01 -0.11 -0.27 0.08 -0.62 0.00 0.00 178.44 177.52 1xcb h ARG 16 N -0.21 -0.38 -0.78 1.25 0.11 -1.46 -0.13 114.38 112.78 1xcb h ARG 16 Ca -0.02 0.03 0.17 0.00 0.10 0.00 0.00 59.98 60.26 1xcb h ARG 16 Cb 0.16 0.09 -0.11 0.00 1.11 0.00 0.00 29.97 31.21 1xcb h ARG 16 CO 0.03 -0.25 0.25 0.82 0.10 0.00 0.00 179.97 180.92 1xcb h ILE 17 N -0.39 0.52 -0.75 0.08 2.04 -1.38 0.14 117.51 117.77 1xcb h ILE 17 Ca 0.07 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1xcb h ILE 17 Cb 0.50 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1xcb h ILE 17 CO -0.27 0.06 0.49 -0.07 0.00 0.00 0.00 178.15 178.37 1xcb h LEU 18 N 0.33 0.85 -1.63 1.44 3.38 0.07 0.72 115.31 120.46 1xcb h LEU 18 Ca 0.45 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 1xcb h LEU 18 Cb 0.79 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xcb h LEU 18 CO -0.50 0.61 -0.14 -0.33 0.09 0.00 0.00 178.44 178.17 1xcb h GLU 19 N 1.00 0.00 0.15 1.13 5.08 0.98 0.16 114.58 123.08 1xcb h GLU 19 Ca 0.28 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.43 1xcb h GLU 19 Cb -0.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xcb h GLU 19 CO -0.07 0.14 -0.92 0.93 -1.00 0.00 0.00 179.01 178.09 1xcb h GLU 20 N 0.00 0.35 -1.00 2.33 5.08 -0.16 -3.00 114.58 118.18 1xcb h GLU 20 Ca -0.00 -0.58 0.08 0.00 -1.00 0.00 0.00 59.36 57.85 1xcb h GLU 20 Cb 0.49 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 1xcb h GLU 20 CO 0.02 1.27 0.64 -0.07 -1.00 0.00 0.00 179.01 179.87 1xcb h LEU 21 N -0.27 1.01 -1.42 1.33 3.38 -0.48 0.22 115.31 119.08 1xcb h LEU 21 Ca -0.16 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.01 1xcb h LEU 21 Cb 1.72 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 1xcb h LEU 21 CO 0.17 0.62 0.58 -0.08 0.09 0.00 0.00 178.44 179.83 1xcb h GLU 22 N 1.13 0.50 -0.56 1.13 4.57 -0.68 -0.93 114.58 119.73 1xcb h GLU 22 Ca 0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1xcb h GLU 22 Cb 0.23 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1xcb h GLU 22 CO -0.19 0.33 0.00 0.00 -1.18 0.00 0.00 179.01 177.97 1xcb n ALA 23 N -2.48 2.75 -1.95 2.92 0.00 0.77 -3.46 120.51 119.05 1xcb n ALA 23 Ca 0.18 -0.62 0.04 0.00 0.00 0.00 0.00 53.44 53.04 1xcb n ALA 23 Cb 0.60 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 19.10 1xcb n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xcb n GLN 24 N 0.29 0.43 -0.78 0.00 6.02 -0.40 -4.95 117.38 117.99 1xcb n GLN 24 Ca 0.10 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.19 1xcb n GLN 24 Cb 0.43 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 31.03 1xcb n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xcb n GLY 25 N -0.23 0.32 3.66 1.08 0.00 -1.22 -4.93 105.19 103.87 1xcb n GLY 25 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1xcb n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xcb s VAL 26 N -1.92 3.24 -0.22 1.61 1.01 -0.93 -4.88 120.40 118.32 1xcb s VAL 26 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.33 1xcb s VAL 26 Cb 0.00 -3.19 -0.21 0.00 0.00 0.00 0.00 36.38 32.98 1xcb s VAL 26 CO 0.00 -0.03 -0.03 1.57 0.00 0.00 0.00 175.10 176.61 1xcb n HIS 27 N 7.42 0.19 -4.46 5.22 -0.00 -1.26 -4.41 115.22 117.92 1xcb n HIS 27 Ca 0.19 0.05 -0.29 0.00 0.46 0.00 0.00 57.72 58.12 1xcb n HIS 27 Cb 0.42 -1.03 -0.13 0.00 -0.12 0.00 0.00 29.99 29.13 1xcb n HIS 27 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1xcb s ARG 28 N -2.52 1.52 0.20 1.57 3.52 -1.26 0.33 118.95 122.30 1xcb s ARG 28 Ca -0.25 -1.29 0.02 0.00 -0.13 0.00 0.00 55.73 54.09 1xcb s ARG 28 Cb 0.08 -1.94 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 1xcb s ARG 28 CO 0.70 0.46 0.22 -2.37 -0.81 0.00 0.00 175.30 173.50 1xcb n THR 29 N 1.04 0.00 -4.03 4.11 5.66 0.13 -4.82 114.28 116.38 1xcb n THR 29 Ca -0.18 -1.26 -0.09 0.00 -3.05 0.00 0.00 64.05 59.48 1xcb n THR 29 Cb 0.53 0.68 -0.09 0.00 -1.55 0.00 0.00 70.33 69.90 1xcb n THR 29 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1xcb s SER 30 N -2.32 0.24 0.45 1.09 1.04 -1.26 -1.32 113.70 111.63 1xcb s SER 30 Ca 0.21 -0.96 0.24 0.00 0.48 0.00 0.00 55.95 55.91 1xcb s SER 30 Cb 0.00 0.32 1.03 0.00 0.10 0.00 0.00 66.02 67.48 1xcb s SER 30 CO 0.15 -0.74 1.88 0.77 0.98 0.00 0.00 173.24 176.27 1xcb h SER 31 N 2.82 0.00 0.17 7.02 4.64 -1.97 0.50 113.55 126.74 1xcb h SER 31 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1xcb h SER 31 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1xcb h SER 31 CO 0.57 0.22 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.59 1xcb h GLU 32 N 0.00 -0.22 -0.13 4.77 4.57 -1.95 -0.27 114.58 121.36 1xcb h GLU 32 Ca -0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1xcb h GLU 32 Cb 0.66 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1xcb h GLU 32 CO 0.03 0.13 -0.12 0.37 -1.18 0.00 0.00 179.01 178.24 1xcb h GLN 33 N -0.60 0.31 -0.45 1.92 4.15 -1.87 -2.50 115.11 116.08 1xcb h GLN 33 Ca -0.02 -0.16 0.08 0.00 0.77 0.00 0.00 58.65 59.32 1xcb h GLN 33 Cb 0.45 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.07 1xcb h GLN 33 CO 0.04 0.69 0.02 -0.07 -1.93 0.00 0.00 178.83 177.58 1xcb h LEU 34 N -0.07 -0.14 -1.27 -2.39 3.38 -0.06 -1.78 115.31 112.99 1xcb h LEU 34 Ca 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xcb h LEU 34 Cb 0.63 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1xcb h LEU 34 CO 0.03 -0.04 0.20 1.23 0.09 0.00 0.00 178.44 179.96 1xcb h GLY 35 N 0.14 0.76 1.14 0.83 0.00 -1.03 0.38 103.07 105.29 1xcb h GLY 35 Ca 0.22 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1xcb h GLY 35 CO -0.35 0.35 0.22 0.83 0.00 0.00 0.00 176.54 177.59 1xcb h GLU 36 N 0.70 1.08 0.00 4.80 4.39 -0.88 0.20 114.58 124.88 1xcb h GLU 36 Ca 0.17 -0.22 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 1xcb h GLU 36 Cb 0.13 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1xcb h GLU 36 CO -0.02 0.92 -1.22 -0.07 -1.16 0.00 0.00 179.01 177.46 1xcb h LEU 37 N 1.04 0.01 -0.20 1.33 3.38 -0.81 -3.21 115.31 116.86 1xcb h LEU 37 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xcb h LEU 37 Cb 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xcb h LEU 37 CO -0.01 1.01 -0.11 0.00 0.09 0.00 0.00 178.44 179.43 1xcb n ALA 38 N -2.42 2.74 -3.52 1.53 0.00 0.13 -4.92 120.51 114.06 1xcb n ALA 38 Ca -0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 1xcb n ALA 38 Cb 0.98 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 19.15 1xcb n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xcb n GLN 39 N -1.02 -7.45 -4.00 0.00 6.02 0.23 -5.01 117.38 106.14 1xcb n GLN 39 Ca 0.14 0.77 -0.09 0.00 -0.01 0.00 0.00 57.00 57.82 1xcb n GLN 39 Cb 0.28 -5.66 -0.11 0.00 1.02 0.00 0.00 30.24 25.77 1xcb n GLN 39 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1xcb s VAL 40 N -3.30 0.14 0.45 5.09 -7.23 0.47 -5.03 120.40 110.98 1xcb s VAL 40 Ca 0.55 -1.12 -0.25 0.00 -1.81 0.00 0.00 61.98 59.35 1xcb s VAL 40 Cb -0.24 -0.56 -0.09 0.00 0.56 0.00 0.00 36.38 36.05 1xcb s VAL 40 CO 0.68 -0.62 1.31 0.35 -0.31 0.00 0.00 175.10 176.51 1xcb n THR 41 N 1.25 2.76 -0.15 5.32 -2.24 -1.26 -4.11 114.28 115.84 1xcb n THR 41 Ca -0.22 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1xcb n THR 41 Cb 0.56 -1.63 0.47 0.00 -2.10 0.00 0.00 70.33 67.63 1xcb n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcb h ALA 42 N 2.03 2.01 -0.33 6.98 0.00 -1.88 0.17 119.26 128.24 1xcb h ALA 42 Ca -0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1xcb h ALA 42 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1xcb h ALA 42 CO 0.60 -0.19 0.16 0.35 0.00 0.00 0.00 179.25 180.17 1xcb h PHE 43 N 0.48 0.45 -0.18 0.00 3.57 -1.87 -2.21 116.94 117.18 1xcb h PHE 43 Ca 0.35 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.66 1xcb h PHE 43 Cb 0.68 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1xcb h PHE 43 CO -0.00 0.33 -0.61 0.37 -2.23 0.00 0.00 178.31 176.17 1xcb h GLN 44 N 0.46 0.62 0.53 1.11 5.75 -1.00 -1.56 115.11 121.02 1xcb h GLN 44 Ca 0.12 -0.43 -0.02 0.00 -0.15 0.00 0.00 58.65 58.17 1xcb h GLN 44 Cb 0.05 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1xcb h GLN 44 CO -0.02 1.05 -0.29 0.28 -2.65 0.00 0.00 178.83 177.19 1xcb h VAL 45 N 0.46 0.39 -0.32 2.39 2.07 -1.12 0.28 116.25 120.40 1xcb h VAL 45 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1xcb h VAL 45 Cb 1.19 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1xcb h VAL 45 CO 0.12 0.00 0.22 0.03 0.02 0.00 0.00 177.57 177.96 1xcb h ARG 46 N -0.77 0.12 0.25 1.57 3.08 -1.41 -0.00 114.38 117.22 1xcb h ARG 46 Ca -0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1xcb h ARG 46 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1xcb h ARG 46 CO 0.08 0.08 -0.12 -0.22 -1.07 0.00 0.00 179.97 178.72 1xcb h LYS 47 N 0.12 -0.33 0.00 0.04 1.63 -0.53 -2.83 116.57 114.67 1xcb h LYS 47 Ca 0.15 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1xcb h LYS 47 Cb 0.43 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1xcb h LYS 47 CO -0.02 0.03 0.00 -0.25 -3.45 0.00 0.00 179.45 175.76 1xcb n ASP 48 N -5.03 0.00 -0.40 4.20 8.00 0.91 -2.37 116.55 121.85 1xcb n ASP 48 Ca -0.08 0.76 0.36 0.00 0.71 0.00 0.00 54.79 56.54 1xcb n ASP 48 Cb 0.26 -0.26 0.63 0.00 -0.02 0.00 0.00 41.12 41.73 1xcb n ASP 48 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xcb n LEU 49 N -1.57 0.27 0.26 0.64 4.77 -0.10 0.50 117.00 121.77 1xcb n LEU 49 Ca 0.00 1.48 0.16 0.00 -0.03 0.00 0.00 56.01 57.62 1xcb n LEU 49 Cb 0.00 -0.73 0.57 0.00 -2.33 0.00 0.00 43.42 40.93 1xcb n LEU 49 CO 0.00 -1.63 0.95 0.28 -1.33 0.00 0.00 177.39 175.66 1xcb h SER 50 N 0.00 0.00 -0.61 -1.43 0.02 -1.20 -2.56 113.55 107.77 1xcb h SER 50 Ca 0.86 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.87 1xcb h SER 50 Cb 2.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 65.03 1xcb h SER 50 CO -0.59 0.00 0.31 1.88 -1.14 0.00 0.00 176.83 177.29 1xcb h TYR 51 N 0.00 0.56 -2.60 3.45 0.99 0.39 -3.42 116.97 116.34 1xcb h TYR 51 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1xcb h TYR 51 Cb 0.62 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.19 1xcb h TYR 51 CO 0.00 0.25 0.00 1.19 -0.00 0.00 0.00 178.16 179.60 1xcb n PHE 52 N -4.86 -1.90 0.00 4.88 3.01 -0.96 -5.05 117.46 112.58 1xcb n PHE 52 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1xcb n PHE 52 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1xcb n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xcb n GLY 53 N 5.00 -3.09 0.00 1.37 0.00 -1.26 -4.86 105.19 102.36 1xcb n GLY 53 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1xcb n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xcb n SER 54 N -0.60 0.00 -4.23 1.61 3.41 -1.26 -4.76 113.62 107.79 1xcb n SER 54 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1xcb n SER 54 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1xcb n SER 54 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xcb s TYR 55 N 0.00 1.39 0.67 7.33 2.02 -1.26 -3.65 117.35 123.86 1xcb s TYR 55 Ca 0.00 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 1xcb s TYR 55 Cb 0.00 -0.74 0.17 0.00 -0.40 0.00 0.00 41.96 40.99 1xcb s TYR 55 CO 0.00 0.13 0.54 0.41 -1.57 0.00 0.00 175.55 175.06 1xcb n GLY 56 N 0.74 -2.92 3.48 0.71 0.00 -1.26 -4.83 105.19 101.11 1xcb n GLY 56 Ca -0.17 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 1xcb n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xcb s THR 57 N -1.93 0.01 0.00 2.61 2.01 -0.86 -4.86 115.64 112.62 1xcb s THR 57 Ca 0.37 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1xcb s THR 57 Cb -0.04 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.60 1xcb s THR 57 CO 0.29 -0.03 0.00 0.54 -0.69 0.00 0.00 174.62 174.72 1xcb n ARG 58 N 2.02 0.00 0.00 4.92 5.12 -1.26 -0.65 116.66 126.81 1xcb n ARG 58 Ca -0.16 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 55.87 1xcb n ARG 58 Cb 0.56 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.95 1xcb n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xcb n GLY 59 N 0.00 -1.00 0.00 -0.13 0.00 -1.26 -4.42 105.19 98.38 1xcb n GLY 59 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1xcb n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xcb n VAL 60 N -1.32 0.00 0.00 1.61 0.31 -1.16 -5.01 118.33 112.76 1xcb n VAL 60 Ca 0.06 0.61 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 1xcb n VAL 60 Cb 0.34 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1xcb n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xcb n GLY 61 N 1.54 1.02 3.23 2.92 0.00 0.17 -4.54 105.19 109.54 1xcb n GLY 61 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1xcb n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xcb s TYR 62 N 0.00 2.35 -0.52 1.61 1.51 -0.43 -2.04 117.35 119.83 1xcb s TYR 62 Ca 0.00 -0.77 -0.27 0.00 -1.01 0.00 0.00 57.07 55.02 1xcb s TYR 62 Cb 0.00 -1.56 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 1xcb s TYR 62 CO 0.00 -0.26 1.09 0.99 -1.11 0.00 0.00 175.55 176.26 1xcb s THR 63 N -0.00 4.21 0.23 -0.71 2.01 -1.26 -0.69 115.64 119.43 1xcb s THR 63 Ca -0.07 0.88 -0.15 0.00 0.31 0.00 0.00 61.69 62.66 1xcb s THR 63 Cb -0.15 -4.61 0.27 0.00 0.01 0.00 0.00 72.50 68.03 1xcb s THR 63 CO 0.05 -1.11 1.47 0.52 -0.69 0.00 0.00 174.62 174.86 1xcb n VAL 64 N 6.62 -0.48 -0.26 3.82 0.31 0.15 -0.75 118.33 127.73 1xcb n VAL 64 Ca 0.08 2.21 0.03 0.00 -0.01 0.00 0.00 64.34 66.66 1xcb n VAL 64 Cb 0.49 -2.95 0.16 0.00 -0.91 0.00 0.00 33.84 30.63 1xcb n VAL 64 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xcb h PRO 65 N 0.00 0.60 0.38 5.55 0.11 -1.88 -1.64 132.00 135.12 1xcb h PRO 65 Ca 0.35 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 1xcb h PRO 65 Cb 0.59 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1xcb h PRO 65 CO -0.95 0.40 -0.18 0.28 -0.21 0.00 0.00 178.00 177.34 1xcb h VAL 66 N 0.62 0.58 -0.80 3.15 2.07 -1.31 -2.25 116.25 118.30 1xcb h VAL 66 Ca 0.38 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1xcb h VAL 66 Cb 0.44 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1xcb h VAL 66 CO -0.30 0.09 0.52 0.25 0.02 0.00 0.00 177.57 178.16 1xcb h LEU 67 N -0.82 0.73 0.24 2.57 6.46 -1.30 0.70 115.31 123.90 1xcb h LEU 67 Ca -0.05 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1xcb h LEU 67 Cb 0.53 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1xcb h LEU 67 CO 0.08 0.46 -0.12 0.50 -0.62 0.00 0.00 178.44 178.75 1xcb h LYS 68 N 0.83 -0.31 0.08 1.25 3.64 -1.30 0.40 116.57 121.16 1xcb h LYS 68 Ca 0.35 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1xcb h LYS 68 Cb 0.30 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1xcb h LYS 68 CO -0.13 -0.06 -0.24 -0.09 -2.27 0.00 0.00 179.45 176.67 1xcb h ARG 69 N -0.54 -0.41 -0.79 1.90 2.43 -0.67 -0.53 114.38 115.77 1xcb h ARG 69 Ca -0.03 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 1xcb h ARG 69 Cb 0.40 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 1xcb h ARG 69 CO 0.05 -0.27 0.31 0.93 -1.51 0.00 0.00 179.97 179.49 1xcb h GLU 70 N -0.42 0.41 -0.30 0.20 5.08 0.52 -2.17 114.58 117.90 1xcb h GLU 70 Ca 0.04 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1xcb h GLU 70 Cb 0.46 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1xcb h GLU 70 CO -0.16 0.27 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.90 1xcb h LEU 71 N 0.43 0.66 -2.25 1.33 3.38 0.53 -2.90 115.31 116.48 1xcb h LEU 71 Ca 0.45 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xcb h LEU 71 Cb 0.73 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xcb h LEU 71 CO -0.44 0.92 -0.03 0.03 0.09 0.00 0.00 178.44 179.00 1xcb h ARG 72 N 0.39 0.00 -0.00 1.13 3.08 -0.51 0.73 114.38 119.20 1xcb h ARG 72 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1xcb h ARG 72 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1xcb h ARG 72 CO 0.05 0.03 -0.01 1.25 -1.07 0.00 0.00 179.97 180.22 1xcb h HIS 73 N 0.00 0.02 -0.33 3.04 2.76 -1.35 0.75 115.15 120.04 1xcb h HIS 73 Ca -0.00 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1xcb h HIS 73 Cb 0.08 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 1xcb h HIS 73 CO 0.00 0.65 0.05 0.82 -1.30 0.00 0.00 177.93 178.16 1xcb h ILE 74 N -0.62 0.82 -0.07 6.26 2.04 -1.13 -1.20 117.51 123.60 1xcb h ILE 74 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1xcb h ILE 74 Cb 0.65 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1xcb h ILE 74 CO 0.00 0.03 0.00 0.18 0.00 0.00 0.00 178.15 178.36 1xcb n LEU 75 N -5.11 0.44 -0.61 1.44 4.77 0.17 -4.89 117.00 113.21 1xcb n LEU 75 Ca 0.01 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.70 1xcb n LEU 75 Cb 0.15 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1xcb n LEU 75 CO 0.24 0.11 -0.07 0.61 -1.33 0.00 0.00 177.39 176.95 1xcb n GLY 76 N 0.59 0.68 0.00 -0.72 0.00 -0.46 -4.77 105.19 100.52 1xcb n GLY 76 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1xcb n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xcb n LEU 77 N -0.87 0.00 -2.62 0.99 4.77 0.19 -3.79 117.00 115.66 1xcb n LEU 77 Ca -0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 1xcb n LEU 77 Cb 0.48 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1xcb n LEU 77 CO 0.11 0.00 1.51 -0.46 -1.33 0.00 0.00 177.39 177.22 1xcb n ASN 78 N -0.62 7.23 0.00 -1.43 6.94 -1.21 -4.55 115.26 121.62 1xcb n ASN 78 Ca 0.02 -3.61 0.00 0.00 -0.02 0.00 0.00 54.58 50.97 1xcb n ASN 78 Cb 0.01 -1.09 0.00 0.00 -2.36 0.00 0.00 39.78 36.34 1xcb n ASN 78 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1xcb n ARG 79 N -0.20 0.00 -2.28 -3.83 1.85 -1.25 -5.10 116.66 105.86 1xcb n ARG 79 Ca 0.53 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.35 1xcb n ARG 79 Cb 0.42 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.83 1xcb n ARG 79 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1xcb n LYS 80 N 0.00 -1.82 -2.47 2.89 3.00 -1.18 -5.00 118.16 113.58 1xcb n LYS 80 Ca 0.00 1.71 -0.31 0.00 -0.00 0.00 0.00 58.31 59.71 1xcb n LYS 80 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 35.03 31.13 1xcb n LYS 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1xcb s TRP 81 N -1.47 3.47 -0.17 5.64 0.52 0.90 -4.87 118.94 122.96 1xcb s TRP 81 Ca 0.07 1.33 -0.18 0.00 0.02 0.00 0.00 56.10 57.35 1xcb s TRP 81 Cb -0.02 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 1xcb s TRP 81 CO 0.48 -0.33 0.49 0.20 0.02 0.00 0.00 176.95 177.81 1xcb s GLY 82 N -3.20 2.18 0.55 0.98 0.00 -1.25 -1.61 107.32 104.98 1xcb s GLY 82 Ca 0.56 -0.34 0.04 0.00 0.00 0.00 0.00 44.72 44.98 1xcb s GLY 82 CO 0.33 0.95 0.29 1.08 0.00 0.00 0.00 173.10 175.76 1xcb s LEU 83 N 1.27 2.49 -0.11 0.66 1.02 -0.08 0.04 118.68 123.97 1xcb s LEU 83 Ca 0.24 -1.42 -0.33 0.00 0.02 0.00 0.00 54.13 52.64 1xcb s LEU 83 Cb -0.15 -0.98 0.13 0.00 0.02 0.00 0.00 46.19 45.20 1xcb s LEU 83 CO 0.10 -1.09 1.15 0.00 0.02 0.00 0.00 176.35 176.52 1xcb s ILE 85 N -2.59 1.61 -0.36 0.00 1.01 -0.70 -1.34 121.20 118.82 1xcb s ILE 85 Ca 0.09 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 1xcb s ILE 85 Cb -0.00 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 41.01 1xcb s ILE 85 CO -0.05 0.46 0.18 -0.69 0.00 0.00 0.00 174.94 174.85 1xcb s VAL 86 N 1.22 4.44 0.00 2.92 1.01 -0.95 -1.55 120.40 127.49 1xcb s VAL 86 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1xcb s VAL 86 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1xcb s VAL 86 CO -0.06 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1xcb n GLY 87 N 4.96 3.19 0.00 4.51 0.00 -0.65 -1.07 105.19 116.13 1xcb n GLY 87 Ca -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1xcb n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcb n GLY 89 N -1.01 0.19 0.10 -0.02 0.00 -1.26 -3.80 105.19 99.39 1xcb n GLY 89 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1xcb n GLY 89 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xcb h ARG 90 N 0.00 -0.11 -0.37 1.61 3.08 -1.98 -1.86 114.38 114.76 1xcb h ARG 90 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1xcb h ARG 90 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1xcb h ARG 90 CO 0.00 0.43 0.12 1.25 -1.07 0.00 0.00 179.97 180.70 1xcb h LEU 91 N -0.87 0.54 -0.61 3.04 5.85 -1.90 -1.33 115.31 120.03 1xcb h LEU 91 Ca -0.01 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1xcb h LEU 91 Cb 0.59 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1xcb h LEU 91 CO 0.02 0.60 0.20 1.23 -0.34 0.00 0.00 178.44 180.15 1xcb h GLY 92 N 0.45 1.01 1.93 3.75 0.00 -1.70 0.87 103.07 109.38 1xcb h GLY 92 Ca 0.12 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1xcb h GLY 92 CO -0.00 0.55 -0.30 1.76 0.00 0.00 0.00 176.54 178.55 1xcb h SER 93 N 0.87 0.08 0.04 0.19 0.02 -1.25 -1.87 113.55 111.64 1xcb h SER 93 Ca 0.20 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1xcb h SER 93 Cb 0.27 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1xcb h SER 93 CO -0.01 0.39 -0.02 0.00 -1.14 0.00 0.00 176.83 176.05 1xcb h ALA 94 N 1.62 -0.06 -0.71 3.77 0.00 -0.73 -3.15 119.26 120.00 1xcb h ALA 94 Ca 0.01 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.79 1xcb h ALA 94 Cb 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1xcb h ALA 94 CO 0.04 -0.24 0.48 -0.07 0.00 0.00 0.00 179.25 179.46 1xcb h LEU 95 N -0.64 0.34 -1.11 0.00 3.38 -0.64 -1.00 115.31 115.65 1xcb h LEU 95 Ca -0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1xcb h LEU 95 Cb 0.57 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1xcb h LEU 95 CO 0.01 0.18 0.61 0.00 0.09 0.00 0.00 178.44 179.33 1xcb h ALA 96 N 1.66 1.41 0.00 1.53 0.00 -1.30 -2.38 119.26 120.18 1xcb h ALA 96 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xcb h ALA 96 Cb 0.83 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xcb h ALA 96 CO -0.10 0.50 -0.42 -0.25 0.00 0.00 0.00 179.25 178.98 1xcb n ASP 97 N -4.44 0.42 -4.70 0.00 8.00 -0.41 -4.83 116.55 110.59 1xcb n ASP 97 Ca 0.12 -0.13 -0.53 0.00 0.71 0.00 0.00 54.79 54.97 1xcb n ASP 97 Cb 0.10 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 1xcb n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xcb n TYR 98 N -1.51 2.20 1.29 1.24 9.36 -0.90 -4.82 117.16 124.03 1xcb n TYR 98 Ca 0.06 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1xcb n TYR 98 Cb 0.34 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.48 1xcb n TYR 98 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1xcb n PRO 99 N 6.04 0.96 -2.69 2.98 -0.04 -1.26 -4.44 135.00 136.55 1xcb n PRO 99 Ca 0.25 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 1xcb n PRO 99 Cb 0.21 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1xcb n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xcb n GLY 100 N 0.17 4.88 0.05 0.55 0.00 -1.26 -4.74 105.19 104.84 1xcb n GLY 100 Ca 0.00 -2.41 0.11 0.00 0.00 0.00 0.00 46.02 43.73 1xcb n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xcb n PHE 101 N -0.28 0.37 -4.17 1.61 3.01 -1.26 -5.08 117.46 111.66 1xcb n PHE 101 Ca 0.30 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1xcb n PHE 101 Cb 0.63 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1xcb n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xcb n GLY 102 N 1.25 -1.81 0.21 1.37 0.00 -1.26 -3.43 105.19 101.52 1xcb n GLY 102 Ca -0.02 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.79 1xcb n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xcb n GLU 103 N -0.30 0.69 0.09 1.61 -0.58 -1.26 -4.11 120.64 116.77 1xcb n GLU 103 Ca 0.00 -0.43 0.08 0.00 -0.42 0.00 0.00 57.16 56.40 1xcb n GLU 103 Cb 0.00 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.36 1xcb n GLU 103 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1xcb h SER 104 N 1.04 0.00 -3.64 1.62 0.02 -1.84 -3.40 113.55 107.35 1xcb h SER 104 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1xcb h SER 104 Cb 0.52 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.69 1xcb h SER 104 CO 0.00 0.15 -0.80 -0.36 -1.14 0.00 0.00 176.83 174.68 1xcb s PHE 105 N -3.25 2.72 -0.25 3.45 0.40 -1.22 -0.07 117.98 119.75 1xcb s PHE 105 Ca -0.01 -1.91 -0.01 0.00 -0.60 0.00 0.00 56.93 54.40 1xcb s PHE 105 Cb 0.09 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.93 1xcb s PHE 105 CO 0.79 -0.80 -0.06 -2.00 0.70 0.00 0.00 175.22 173.85 1xcb s GLU 106 N 1.29 2.75 0.31 0.44 2.12 -0.63 -4.58 118.70 120.39 1xcb s GLU 106 Ca -0.05 -1.04 -0.29 0.00 0.36 0.00 0.00 54.97 53.95 1xcb s GLU 106 Cb -0.18 -3.00 -0.11 0.00 0.26 0.00 0.00 34.13 31.10 1xcb s GLU 106 CO -0.07 -0.44 1.47 -0.51 -0.54 0.00 0.00 175.26 175.18 1xcb s LEU 107 N 1.30 4.36 0.00 2.70 1.43 -1.26 -0.91 118.68 126.31 1xcb s LEU 107 Ca -0.01 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1xcb s LEU 107 Cb -0.17 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1xcb s LEU 107 CO -0.04 -0.78 0.00 0.54 0.23 0.00 0.00 176.35 176.30 1xcb n ARG 108 N 1.49 4.03 -4.16 1.70 1.74 -0.47 -4.81 116.66 116.17 1xcb n ARG 108 Ca 0.04 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.97 1xcb n ARG 108 Cb 0.39 -0.60 -0.11 0.00 -1.02 0.00 0.00 32.46 31.12 1xcb n ARG 108 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xcb s GLY 109 N -0.60 0.82 -0.20 -0.13 0.00 -1.00 -4.92 107.32 101.29 1xcb s GLY 109 Ca 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 1xcb s GLY 109 CO 0.00 -1.14 0.18 -1.36 0.00 0.00 0.00 173.10 170.78 1xcb s PHE 110 N -1.93 -0.13 0.11 1.90 0.40 -1.26 -1.73 117.98 115.34 1xcb s PHE 110 Ca 0.01 0.01 0.09 0.00 -0.60 0.00 0.00 56.93 56.45 1xcb s PHE 110 Cb -0.06 -0.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 1xcb s PHE 110 CO 0.01 -0.59 -0.23 -0.06 0.70 0.00 0.00 175.22 175.04 1xcb s PHE 111 N 2.27 2.00 0.17 0.36 0.40 -0.60 -0.04 117.98 122.54 1xcb s PHE 111 Ca 0.06 -0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 55.75 1xcb s PHE 111 Cb -0.16 -1.10 0.06 0.00 0.51 0.00 0.00 43.02 42.34 1xcb s PHE 111 CO -0.13 0.25 0.67 0.34 0.70 0.00 0.00 175.22 177.05 1xcb s ASP 112 N -1.91 -0.46 -0.05 1.36 -1.08 -0.68 -1.64 116.67 112.21 1xcb s ASP 112 Ca 0.09 -0.15 0.16 0.00 -0.52 0.00 0.00 52.55 52.14 1xcb s ASP 112 Cb -0.10 0.60 -0.21 0.00 -1.46 0.00 0.00 42.92 41.75 1xcb s ASP 112 CO 0.05 -1.01 0.53 0.52 0.52 0.00 0.00 175.17 175.78 1xcb n VAL 113 N -0.39 1.25 -1.64 1.11 0.31 -1.26 -3.32 118.33 114.39 1xcb n VAL 113 Ca -0.13 -0.75 -0.42 0.00 -0.01 0.00 0.00 64.34 63.03 1xcb n VAL 113 Cb 0.63 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 32.86 1xcb n VAL 113 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xcb n ASP 114 N -2.83 3.94 0.28 4.52 4.64 -1.26 -4.85 116.55 120.99 1xcb n ASP 114 Ca -0.18 0.72 0.18 0.00 -1.38 0.00 0.00 54.79 54.14 1xcb n ASP 114 Cb 0.96 -1.54 0.88 0.00 -1.04 0.00 0.00 41.12 40.39 1xcb n ASP 114 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1xcb h PRO 115 N 11.77 0.00 -0.01 -0.67 0.13 -2.02 -1.91 132.00 139.30 1xcb h PRO 115 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xcb h PRO 115 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xcb h PRO 115 CO 0.95 0.00 -0.04 0.39 -0.23 0.00 0.00 178.00 179.07 1xcb n GLU 116 N -2.90 1.07 -0.00 0.86 1.02 -1.26 -3.64 120.64 115.78 1xcb n GLU 116 Ca -0.01 -0.36 0.04 0.00 -0.02 0.00 0.00 57.16 56.81 1xcb n GLU 116 Cb 0.17 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 1xcb n GLU 116 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xcb n LYS 117 N -0.65 1.69 -0.31 3.49 5.02 -0.72 -4.68 118.16 122.01 1xcb n LYS 117 Ca 0.19 -0.05 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1xcb n LYS 117 Cb 0.24 -1.08 0.29 0.00 -0.02 0.00 0.00 35.03 34.46 1xcb n LYS 117 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xcb h VAL 118 N 0.00 0.54 0.57 -0.18 2.07 -1.61 -3.03 116.25 114.60 1xcb h VAL 118 Ca 0.00 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1xcb h VAL 118 Cb 0.31 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1xcb h VAL 118 CO 0.00 0.09 -0.27 1.23 0.02 0.00 0.00 177.57 178.63 1xcb h GLY 119 N 0.47 -0.80 0.00 2.17 0.00 -1.82 -3.34 103.07 99.75 1xcb h GLY 119 Ca 0.54 0.30 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1xcb h GLY 119 CO -0.49 -0.29 0.00 -2.13 0.00 0.00 0.00 176.54 173.63 1xcb n ARG 120 N -4.79 0.00 -2.56 4.80 0.63 -1.15 -4.22 116.66 109.37 1xcb n ARG 120 Ca -0.09 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.56 1xcb n ARG 120 Cb 0.30 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.21 1xcb n ARG 120 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1xcb s PRO 121 N 0.00 3.50 0.00 -0.14 0.02 -1.26 -1.30 135.00 135.82 1xcb s PRO 121 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.25 1xcb s PRO 121 Cb 0.00 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1xcb s PRO 121 CO 0.00 -0.27 0.00 1.33 -0.33 0.00 0.00 177.00 177.73 1xcb n VAL 122 N -2.32 0.00 0.00 3.83 0.24 0.35 -4.85 118.33 115.57 1xcb n VAL 122 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1xcb n VAL 122 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1xcb n VAL 122 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xcb n ARG 123 N 0.00 0.00 0.30 7.34 3.00 -1.26 -3.41 116.66 122.64 1xcb n ARG 123 Ca 0.00 0.28 -0.16 0.00 -0.00 0.00 0.00 57.85 57.96 1xcb n ARG 123 Cb 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 32.46 31.62 1xcb n ARG 123 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1xcb h GLY 124 N 0.00 -0.78 0.00 5.14 0.00 -1.91 -3.48 103.07 102.04 1xcb h GLY 124 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1xcb h GLY 124 CO 0.00 -0.28 0.00 0.61 0.00 0.00 0.00 176.54 176.87 1xcb n GLY 125 N -1.18 1.16 3.12 4.60 0.00 -1.22 -5.13 105.19 106.55 1xcb n GLY 125 Ca -0.12 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1xcb n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xcb s VAL 126 N 1.19 0.18 0.42 1.61 -7.23 -1.26 0.13 120.40 115.44 1xcb s VAL 126 Ca 0.00 -1.47 -0.23 0.00 -1.81 0.00 0.00 61.98 58.47 1xcb s VAL 126 Cb 0.00 -1.32 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 1xcb s VAL 126 CO 0.00 -0.81 1.04 -0.63 -0.31 0.00 0.00 175.10 174.38 1xcb s ILE 127 N -3.60 3.80 0.19 -0.62 1.01 -0.42 -4.38 121.20 117.19 1xcb s ILE 127 Ca 0.04 1.29 0.05 0.00 0.00 0.00 0.00 60.65 62.02 1xcb s ILE 127 Cb 0.05 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1xcb s ILE 127 CO -0.09 -0.08 -0.08 -1.61 0.00 0.00 0.00 174.94 173.08 1xcb s GLU 128 N -2.74 1.21 1.07 2.79 2.02 0.95 -4.52 118.70 119.48 1xcb s GLU 128 Ca 0.61 -1.56 -0.17 0.00 0.02 0.00 0.00 54.97 53.87 1xcb s GLU 128 Cb -0.19 -0.74 0.23 0.00 0.10 0.00 0.00 34.13 33.53 1xcb s GLU 128 CO 0.24 0.05 1.19 -1.58 0.02 0.00 0.00 175.26 175.18 1xcb s HIS 129 N -3.27 1.21 -0.32 1.61 5.65 -1.26 -1.69 115.29 117.23 1xcb s HIS 129 Ca 0.22 0.50 0.23 0.00 0.25 0.00 0.00 55.06 56.25 1xcb s HIS 129 Cb 0.03 -3.67 0.04 0.00 -1.18 0.00 0.00 32.58 27.80 1xcb s HIS 129 CO 0.05 -3.21 1.06 1.33 -0.65 0.00 0.00 174.74 173.32 1xcb n VAL 130 N -4.26 0.52 -0.08 0.89 0.24 -1.21 -4.39 118.33 110.04 1xcb n VAL 130 Ca 0.13 -0.48 -0.07 0.00 -2.04 0.00 0.00 64.34 61.88 1xcb n VAL 130 Cb 0.59 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 1xcb n VAL 130 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1xcb h ASP 131 N 0.00 -0.29 0.00 -1.34 3.32 -1.92 -1.75 116.42 114.44 1xcb h ASP 131 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1xcb h ASP 131 Cb 0.94 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1xcb h ASP 131 CO 0.00 -0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.41 1xcb n LEU 132 N -5.26 0.00 -0.31 1.55 -0.00 -1.26 -4.20 117.00 107.52 1xcb n LEU 132 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.17 1xcb n LEU 132 Cb 0.18 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 43.94 1xcb n LEU 132 CO 0.19 0.00 1.04 0.25 -0.00 0.00 0.00 177.39 178.87 1xcb h LEU 133 N 0.00 0.31 -0.46 1.47 5.85 -1.58 0.27 115.31 121.16 1xcb h LEU 133 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xcb h LEU 133 Cb 0.00 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1xcb h LEU 133 CO 0.00 -0.07 0.00 -2.65 -0.34 0.00 0.00 178.44 175.38 1xcb n PRO 134 N -5.09 0.09 -0.07 5.25 -0.02 -1.26 -1.88 135.00 132.03 1xcb n PRO 134 Ca 0.25 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1xcb n PRO 134 Cb 0.75 -1.71 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 1xcb n PRO 134 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1xcb n GLN 135 N -1.89 0.67 0.05 -0.52 1.13 0.89 -4.40 117.38 113.31 1xcb n GLN 135 Ca 0.02 0.13 0.13 0.00 -1.94 0.00 0.00 57.00 55.33 1xcb n GLN 135 Cb 0.15 -1.62 0.31 0.00 0.11 0.00 0.00 30.24 29.20 1xcb n GLN 135 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xcb n ARG 136 N -2.96 0.18 -0.04 -1.09 5.12 -0.93 -4.67 116.66 112.26 1xcb n ARG 136 Ca -0.30 0.08 -0.03 0.00 -1.93 0.00 0.00 57.85 55.68 1xcb n ARG 136 Cb 1.10 -1.64 -0.01 0.00 -1.16 0.00 0.00 32.46 30.74 1xcb n ARG 136 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1xcb n VAL 137 N -1.92 0.83 0.00 1.55 0.31 -0.79 -4.26 118.33 114.06 1xcb n VAL 137 Ca 0.05 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.71 1xcb n VAL 137 Cb 0.40 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1xcb n VAL 137 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xcb n PRO 138 N -3.63 0.00 -0.82 5.55 -0.02 -1.26 -0.17 135.00 134.65 1xcb n PRO 138 Ca -0.04 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.47 1xcb n PRO 138 Cb 0.16 0.00 0.34 0.00 -0.02 0.00 0.00 33.50 33.98 1xcb n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xcb n GLY 139 N -0.09 2.94 0.00 -1.23 0.00 -1.26 -4.48 105.19 101.06 1xcb n GLY 139 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1xcb n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcb n ARG 140 N 0.42 0.66 -4.56 1.61 1.74 0.77 -5.07 116.66 112.23 1xcb n ARG 140 Ca 0.27 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.09 1xcb n ARG 140 Cb 1.13 -0.91 -0.17 0.00 -1.02 0.00 0.00 32.46 31.50 1xcb n ARG 140 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xcb s ILE 141 N -1.81 1.26 -0.02 0.55 1.01 0.03 -3.74 121.20 118.48 1xcb s ILE 141 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1xcb s ILE 141 Cb 0.00 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1xcb s ILE 141 CO 0.00 0.39 0.05 -0.62 0.00 0.00 0.00 174.94 174.76 1xcb n GLU 142 N 3.95 1.65 -4.83 2.79 4.71 0.11 -4.59 120.64 124.43 1xcb n GLU 142 Ca -0.21 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 56.61 1xcb n GLU 142 Cb 0.52 -1.09 -0.14 0.00 -1.01 0.00 0.00 31.44 29.72 1xcb n GLU 142 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xcb s ILE 143 N -2.17 2.61 -0.02 -3.67 1.01 -0.87 0.08 121.20 118.16 1xcb s ILE 143 Ca -0.01 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.52 1xcb s ILE 143 Cb 0.02 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 1xcb s ILE 143 CO 0.14 0.42 -0.10 0.00 0.00 0.00 0.00 174.94 175.40 1xcb s ALA 144 N -0.83 0.93 -0.47 9.38 0.00 -0.22 -2.67 121.76 127.89 1xcb s ALA 144 Ca 0.13 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 1xcb s ALA 144 Cb -0.10 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.79 1xcb s ALA 144 CO 0.03 0.18 0.37 -0.51 0.00 0.00 0.00 175.76 175.83 1xcb s LEU 145 N 0.05 5.59 -0.31 0.00 1.43 -0.45 -0.24 118.68 124.75 1xcb s LEU 145 Ca -0.01 -1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 51.34 1xcb s LEU 145 Cb -0.07 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1xcb s LEU 145 CO 0.00 -0.65 1.07 -0.22 0.23 0.00 0.00 176.35 176.78 1xcb s LEU 146 N 1.57 3.96 -0.35 1.79 2.96 -0.74 -2.23 118.68 125.63 1xcb s LEU 146 Ca 0.04 1.08 0.15 0.00 -0.22 0.00 0.00 54.13 55.17 1xcb s LEU 146 Cb -0.25 -3.53 0.45 0.00 0.50 0.00 0.00 46.19 43.36 1xcb s LEU 146 CO 0.05 -0.85 1.00 0.35 -1.32 0.00 0.00 176.35 175.58 1xcb n THR 147 N 5.80 1.39 -4.32 3.68 -2.24 -0.23 -1.06 114.28 117.31 1xcb n THR 147 Ca 0.12 -3.57 -0.25 0.00 -2.27 0.00 0.00 64.05 58.08 1xcb n THR 147 Cb 0.47 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 1xcb n THR 147 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1xcb s VAL 148 N -3.82 3.21 0.16 2.28 -7.23 -1.25 -4.57 120.40 109.19 1xcb s VAL 148 Ca 0.33 -1.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 1xcb s VAL 148 Cb 0.44 -2.66 -0.17 0.00 0.56 0.00 0.00 36.38 34.54 1xcb s VAL 148 CO -0.02 -0.27 0.75 -2.65 -0.31 0.00 0.00 175.10 172.60 1xcb n PRO 149 N -0.47 0.24 0.03 4.82 -0.02 -1.26 -4.54 135.00 133.80 1xcb n PRO 149 Ca -0.08 0.09 0.20 0.00 -2.02 0.00 0.00 63.50 61.69 1xcb n PRO 149 Cb 0.58 -1.28 0.72 0.00 -0.02 0.00 0.00 33.50 33.49 1xcb n PRO 149 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1xcb h ARG 150 N 1.78 0.00 0.00 -0.52 0.11 -1.93 0.29 114.38 114.11 1xcb h ARG 150 Ca -0.36 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.72 1xcb h ARG 150 Cb 1.42 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.50 1xcb h ARG 150 CO 0.60 0.00 -0.01 0.93 0.10 0.00 0.00 179.97 181.60 1xcb h GLU 151 N 0.00 0.00 -0.00 0.08 5.08 -1.95 -2.70 114.58 115.08 1xcb h GLU 151 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1xcb h GLU 151 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1xcb h GLU 151 CO -0.00 0.01 -0.18 0.00 -1.00 0.00 0.00 179.01 177.83 1xcb n ALA 152 N -2.23 2.66 -0.22 3.43 0.00 0.95 -4.79 120.51 120.31 1xcb n ALA 152 Ca -0.03 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.14 1xcb n ALA 152 Cb 0.09 -0.21 0.10 0.00 0.00 0.00 0.00 19.45 19.44 1xcb n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcb h ALA 153 N 0.94 0.59 0.11 0.00 0.00 -1.06 -1.91 119.26 117.93 1xcb h ALA 153 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xcb h ALA 153 Cb 0.17 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xcb h ALA 153 CO 0.00 -0.41 -0.05 1.96 0.00 0.00 0.00 179.25 180.75 1xcb h GLN 154 N 0.07 -0.14 -0.94 0.00 1.08 -1.87 0.14 115.11 113.46 1xcb h GLN 154 Ca 0.34 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.59 1xcb h GLN 154 Cb 0.56 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 1xcb h GLN 154 CO -0.61 0.12 0.60 0.87 -0.95 0.00 0.00 178.83 178.87 1xcb h LYS 155 N -0.39 1.12 -0.53 1.46 6.56 -1.86 0.18 116.57 123.11 1xcb h LYS 155 Ca -0.01 -0.07 -0.08 0.00 -1.06 0.00 0.00 60.65 59.43 1xcb h LYS 155 Cb 0.32 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 1xcb h LYS 155 CO 0.02 0.74 0.02 0.00 -2.06 0.00 0.00 179.45 178.18 1xcb h ALA 156 N 1.40 1.04 -0.46 3.86 0.00 -1.26 -1.69 119.26 122.15 1xcb h ALA 156 Ca 0.38 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xcb h ALA 156 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xcb h ALA 156 CO -0.14 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.72 1xcb h ALA 157 N 1.19 0.62 -0.95 0.00 0.00 0.25 -1.19 119.26 119.19 1xcb h ALA 157 Ca 0.16 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1xcb h ALA 157 Cb 0.46 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1xcb h ALA 157 CO 0.02 0.42 0.61 -0.44 0.00 0.00 0.00 179.25 179.86 1xcb h ASP 158 N 0.67 0.93 0.65 0.00 3.32 -0.20 0.54 116.42 122.32 1xcb h ASP 158 Ca 0.13 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1xcb h ASP 158 Cb 0.49 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1xcb h ASP 158 CO 0.02 0.57 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.73 1xcb h LEU 159 N 1.04 -0.73 -1.33 1.55 3.38 -0.96 -2.01 115.31 116.25 1xcb h LEU 159 Ca 0.43 -0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.69 1xcb h LEU 159 Cb 0.28 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 1xcb h LEU 159 CO -0.18 -0.38 0.70 -0.07 0.09 0.00 0.00 178.44 178.60 1xcb h LEU 160 N -1.12 0.41 -0.05 1.67 3.38 -0.48 0.14 115.31 119.26 1xcb h LEU 160 Ca -0.09 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1xcb h LEU 160 Cb 0.70 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xcb h LEU 160 CO 0.15 0.00 -0.08 0.58 0.09 0.00 0.00 178.44 179.18 1xcb h VAL 161 N 0.32 1.40 -1.00 1.22 2.07 -0.84 -1.58 116.25 117.85 1xcb h VAL 161 Ca 0.66 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.96 1xcb h VAL 161 Cb 1.76 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 33.61 1xcb h VAL 161 CO -0.36 0.36 0.64 0.00 0.02 0.00 0.00 177.57 178.23 1xcb h ALA 162 N 0.51 1.48 0.00 1.67 0.00 -0.21 0.52 119.26 123.23 1xcb h ALA 162 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xcb h ALA 162 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xcb h ALA 162 CO 0.02 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1xcb n ALA 163 N -2.36 1.69 -0.84 0.00 0.00 0.29 -4.92 120.51 114.37 1xcb n ALA 163 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1xcb n ALA 163 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1xcb n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcb n GLY 164 N 0.07 1.24 3.80 0.00 0.00 0.18 -4.04 105.19 106.43 1xcb n GLY 164 Ca 0.02 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1xcb n GLY 164 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xcb s ILE 165 N -2.13 3.69 -0.05 -0.61 -5.25 -0.66 -4.78 121.20 111.41 1xcb s ILE 165 Ca 0.00 0.78 0.08 0.00 -0.99 0.00 0.00 60.65 60.52 1xcb s ILE 165 Cb 0.00 -3.32 -0.24 0.00 2.95 0.00 0.00 42.46 41.86 1xcb s ILE 165 CO 0.00 -0.50 0.63 0.11 -1.79 0.00 0.00 174.94 173.40 1xcb h LYS 166 N 0.26 0.06 -3.29 0.37 6.56 -0.62 -3.46 116.57 116.44 1xcb h LYS 166 Ca -0.47 -0.10 -0.04 0.00 -1.06 0.00 0.00 60.65 58.98 1xcb h LYS 166 Cb 1.23 0.04 -0.13 0.00 -0.57 0.00 0.00 32.23 32.79 1xcb h LYS 166 CO 0.57 0.66 0.00 0.20 -2.06 0.00 0.00 179.45 178.81 1xcb s GLY 167 N -5.18 -0.36 -0.04 3.86 0.00 0.60 -2.17 107.32 104.03 1xcb s GLY 167 Ca -0.08 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1xcb s GLY 167 CO 0.82 -0.19 -0.04 -0.42 0.00 0.00 0.00 173.10 173.27 1xcb s ILE 168 N -3.79 0.48 -0.55 0.90 1.01 -0.39 -1.06 121.20 117.81 1xcb s ILE 168 Ca 0.02 -0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 1xcb s ILE 168 Cb 0.01 -0.50 0.12 0.00 0.01 0.00 0.00 42.46 42.10 1xcb s ILE 168 CO -0.12 0.20 0.54 -0.22 0.00 0.00 0.00 174.94 175.34 1xcb s LEU 169 N 0.80 6.01 -0.32 2.97 0.20 0.67 -0.15 118.68 128.86 1xcb s LEU 169 Ca -0.10 -1.70 -0.23 0.00 0.69 0.00 0.00 54.13 52.78 1xcb s LEU 169 Cb -0.13 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.40 1xcb s LEU 169 CO 0.00 -0.90 0.79 0.21 -0.29 0.00 0.00 176.35 176.16 1xcb s ASN 170 N 3.56 6.64 0.03 3.68 2.47 0.17 -1.78 114.94 129.71 1xcb s ASN 170 Ca 0.05 0.60 0.23 0.00 0.42 0.00 0.00 52.86 54.16 1xcb s ASN 170 Cb -0.29 -2.41 0.05 0.00 -1.45 0.00 0.00 41.25 37.16 1xcb s ASN 170 CO 0.04 -0.64 1.04 0.49 -3.72 0.00 0.00 177.10 174.31 1xcb n PHE 171 N 6.26 0.17 -2.47 0.43 3.01 -0.22 -1.77 117.46 122.86 1xcb n PHE 171 Ca 0.04 0.05 -0.41 0.00 1.01 0.00 0.00 57.45 58.13 1xcb n PHE 171 Cb 0.48 -0.33 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 1xcb n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xcb s ALA 172 N -3.14 3.38 -1.09 4.37 0.00 -1.24 -4.90 121.76 119.13 1xcb s ALA 172 Ca 0.05 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.63 1xcb s ALA 172 Cb 0.15 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 1xcb s ALA 172 CO 0.80 -0.31 1.93 -0.35 0.00 0.00 0.00 175.76 177.83 1xcb n PRO 173 N 2.99 1.92 -3.59 0.00 -0.04 -1.26 -4.72 135.00 130.30 1xcb n PRO 173 Ca 0.05 -2.39 -0.09 0.00 -0.04 0.00 0.00 63.50 61.04 1xcb n PRO 173 Cb 0.46 -3.38 -0.05 0.00 -0.04 0.00 0.00 33.50 30.50 1xcb n PRO 173 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xcb s VAL 174 N 7.23 0.00 -0.38 0.52 0.11 -1.26 -4.90 120.40 121.72 1xcb s VAL 174 Ca 0.60 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.39 1xcb s VAL 174 Cb 0.07 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1xcb s VAL 174 CO 0.10 0.00 0.95 -0.69 -3.33 0.00 0.00 175.10 172.13 1xcb s VAL 175 N -0.99 4.55 0.83 2.04 1.01 -1.26 -5.02 120.40 121.56 1xcb s VAL 175 Ca 0.01 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.10 1xcb s VAL 175 Cb -0.01 -4.36 0.09 0.00 0.00 0.00 0.00 36.38 32.10 1xcb s VAL 175 CO -0.01 -0.58 1.10 -0.76 0.00 0.00 0.00 175.10 174.85 1xcb s LEU 176 N 3.57 2.82 -0.31 3.92 1.43 -1.26 -5.01 118.68 123.84 1xcb s LEU 176 Ca 0.39 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1xcb s LEU 176 Cb -0.12 -4.41 0.10 0.00 0.03 0.00 0.00 46.19 41.79 1xcb s LEU 176 CO 0.20 -2.40 0.10 -0.70 0.23 0.00 0.00 176.35 173.77 1xcb s GLU 177 N -4.85 0.67 0.35 1.70 2.56 -1.26 -5.12 118.70 112.75 1xcb s GLU 177 Ca 0.63 -1.02 0.04 0.00 0.00 0.00 0.00 54.97 54.61 1xcb s GLU 177 Cb -0.19 -1.92 -0.06 0.00 2.00 0.00 0.00 34.13 33.97 1xcb s GLU 177 CO 0.57 -0.99 0.07 0.14 -0.56 0.00 0.00 175.26 174.49 1xcb s VAL 178 N 1.66 1.12 1.04 3.70 -7.23 -1.26 -4.91 120.40 114.52 1xcb s VAL 178 Ca 0.10 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.13 1xcb s VAL 178 Cb -0.17 -2.71 0.21 0.00 0.56 0.00 0.00 36.38 34.27 1xcb s VAL 178 CO -0.26 0.00 1.10 -2.16 -0.31 0.00 0.00 175.10 173.47 1xcb s PRO 179 N -3.86 0.06 0.50 4.82 0.04 -1.26 -4.95 135.00 130.35 1xcb s PRO 179 Ca 0.34 0.33 0.29 0.00 0.04 0.00 0.00 61.00 62.00 1xcb s PRO 179 Cb 0.08 -1.71 1.04 0.00 0.04 0.00 0.00 34.50 33.95 1xcb s PRO 179 CO 0.15 -2.94 1.87 -0.22 0.04 0.00 0.00 177.00 175.90 1xcb h LYS 180 N -2.04 0.00 0.00 4.56 1.63 -2.03 -2.88 116.57 115.81 1xcb h LYS 180 Ca -0.52 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 1xcb h LYS 180 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1xcb h LYS 180 CO 0.53 0.05 -0.05 0.93 -3.45 0.00 0.00 179.45 177.46 1xcb h GLU 181 N 0.00 0.00 -5.30 1.90 3.07 -1.97 -3.43 114.58 108.85 1xcb h GLU 181 Ca -0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 1xcb h GLU 181 Cb 0.68 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.44 1xcb h GLU 181 CO 0.01 0.00 -0.54 0.08 -1.40 0.00 0.00 179.01 177.15 1xcb s VAL 182 N -3.12 4.96 0.12 3.13 1.01 -1.09 -4.92 120.40 120.49 1xcb s VAL 182 Ca 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1xcb s VAL 182 Cb 0.11 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1xcb s VAL 182 CO 0.62 0.46 0.41 0.00 0.00 0.00 0.00 175.10 176.59 1xcb s ALA 183 N 0.29 3.73 -0.01 5.51 0.00 -0.92 -4.73 121.76 125.64 1xcb s ALA 183 Ca 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1xcb s ALA 183 Cb -0.12 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1xcb s ALA 183 CO -0.00 0.60 -0.03 0.08 0.00 0.00 0.00 175.76 176.41 1xcb s VAL 184 N -1.55 0.33 -0.09 0.00 1.01 -1.26 -1.26 120.40 117.57 1xcb s VAL 184 Ca 0.38 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1xcb s VAL 184 Cb -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1xcb s VAL 184 CO 0.21 0.12 -0.16 -1.61 0.00 0.00 0.00 175.10 173.67 1xcb s GLU 185 N 0.28 2.20 -0.09 2.72 0.41 0.79 -4.96 118.70 120.05 1xcb s GLU 185 Ca -0.03 -0.57 -0.15 0.00 -0.41 0.00 0.00 54.97 53.82 1xcb s GLU 185 Cb -0.06 -1.82 -0.05 0.00 -1.78 0.00 0.00 34.13 30.43 1xcb s GLU 185 CO -0.00 0.00 0.36 -0.80 -0.49 0.00 0.00 175.26 174.33 1xcb s ASN 186 N 0.80 6.61 -0.16 -0.19 0.01 -1.26 0.42 114.94 121.17 1xcb s ASN 186 Ca -0.11 0.73 -0.02 0.00 -0.71 0.00 0.00 52.86 52.75 1xcb s ASN 186 Cb -0.16 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.27 1xcb s ASN 186 CO 0.02 0.18 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.00 1xcb s VAL 187 N -0.14 3.30 -0.28 1.60 1.01 -0.73 -4.94 120.40 120.22 1xcb s VAL 187 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1xcb s VAL 187 Cb -0.15 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 33.89 1xcb s VAL 187 CO 0.08 0.50 0.04 1.51 0.00 0.00 0.00 175.10 177.23 1xcb s ASP 188 N 0.61 3.96 0.00 3.32 -4.77 -1.26 -4.69 116.67 113.83 1xcb s ASP 188 Ca -0.05 -1.50 0.00 0.00 -3.30 0.00 0.00 52.55 47.70 1xcb s ASP 188 Cb -0.15 -1.03 0.00 0.00 -1.09 0.00 0.00 42.92 40.65 1xcb s ASP 188 CO 0.03 -0.35 0.28 0.49 0.70 0.00 0.00 175.17 176.32 1xcb n PHE 189 N 4.73 0.00 -2.57 2.11 0.99 -1.26 -2.86 117.46 118.60 1xcb n PHE 189 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.30 1xcb n PHE 189 Cb 0.43 -0.01 0.03 0.00 -1.00 0.00 0.00 39.48 38.94 1xcb n PHE 189 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1xcb n LEU 190 N -0.36 2.65 0.02 4.37 4.32 -1.26 -4.75 117.00 122.00 1xcb n LEU 190 Ca 0.00 -3.82 -0.05 0.00 -0.02 0.00 0.00 56.01 52.13 1xcb n LEU 190 Cb 0.01 0.18 -0.10 0.00 -1.62 0.00 0.00 43.42 41.89 1xcb n LEU 190 CO 0.00 1.53 -0.25 0.00 -1.22 0.00 0.00 177.39 177.46 1xcb h ALA 191 N 2.60 0.66 0.00 -1.18 0.00 -1.98 -3.26 119.26 116.10 1xcb h ALA 191 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1xcb h ALA 191 Cb 1.27 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1xcb h ALA 191 CO 0.46 1.23 0.00 0.41 0.00 0.00 0.00 179.25 181.35 1xcb n GLY 192 N 1.44 -1.23 0.36 0.00 0.00 -1.26 -2.99 105.19 101.51 1xcb n GLY 192 Ca -0.10 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1xcb n GLY 192 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xcb h LEU 193 N 0.00 0.67 0.09 0.99 3.38 -1.91 0.26 115.31 118.78 1xcb h LEU 193 Ca 0.00 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1xcb h LEU 193 Cb 0.37 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.02 1xcb h LEU 193 CO 0.00 0.39 -0.75 0.74 0.09 0.00 0.00 178.44 178.91 1xcb h THR 194 N 0.73 1.47 -0.25 0.22 2.02 -1.79 0.60 112.91 115.92 1xcb h THR 194 Ca 0.38 -2.36 0.07 0.00 0.77 0.00 0.00 66.41 65.27 1xcb h THR 194 Cb 0.48 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.83 1xcb h THR 194 CO -0.15 0.68 0.20 0.03 0.37 0.00 0.00 175.52 176.64 1xcb h ARG 195 N -0.24 0.00 0.07 6.66 3.08 -1.48 0.29 114.38 122.76 1xcb h ARG 195 Ca -0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1xcb h ARG 195 Cb 1.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.58 1xcb h ARG 195 CO 0.14 0.00 -0.53 1.25 -1.07 0.00 0.00 179.97 179.76 1xcb h LEU 196 N 0.00 0.22 -0.38 3.04 5.85 -0.48 -2.42 115.31 121.14 1xcb h LEU 196 Ca 0.12 -0.94 0.08 0.00 0.84 0.00 0.00 57.88 57.98 1xcb h LEU 196 Cb 0.51 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1xcb h LEU 196 CO -0.00 1.24 -0.18 -1.28 -0.34 0.00 0.00 178.44 177.89 1xcb h SER 197 N -0.69 -0.60 0.66 1.25 0.87 0.08 -0.51 113.55 114.60 1xcb h SER 197 Ca -0.11 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1xcb h SER 197 Cb 1.34 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 63.62 1xcb h SER 197 CO 0.05 -0.21 -0.29 0.15 -0.53 0.00 0.00 176.83 176.00 1xcb h PHE 198 N -0.11 0.00 -0.30 2.24 3.57 -1.09 -2.90 116.94 118.35 1xcb h PHE 198 Ca 0.19 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 1xcb h PHE 198 Cb 0.40 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1xcb h PHE 198 CO -0.41 0.29 -0.35 0.00 -2.23 0.00 0.00 178.31 175.62 1xcb h ALA 199 N 1.71 0.44 0.00 2.41 0.00 -0.58 -2.74 119.26 120.50 1xcb h ALA 199 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1xcb h ALA 199 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1xcb h ALA 199 CO 0.04 0.51 -1.00 0.82 0.00 0.00 0.00 179.25 179.61 1xcb h ILE 200 N 0.52 1.47 0.00 0.00 2.04 -1.44 -3.14 117.51 116.96 1xcb h ILE 200 Ca 0.04 -3.14 0.00 0.00 1.00 0.00 0.00 64.86 62.76 1xcb h ILE 200 Cb 0.93 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1xcb h ILE 200 CO 0.08 0.84 0.00 -0.11 0.00 0.00 0.00 178.15 178.96 1xcb n LEU 201 N -3.29 0.00 -3.09 1.44 7.94 -1.10 -3.74 117.00 115.17 1xcb n LEU 201 Ca -0.02 0.46 -0.18 0.00 -1.11 0.00 0.00 56.01 55.17 1xcb n LEU 201 Cb 0.92 -0.46 -0.02 0.00 0.53 0.00 0.00 43.42 44.38 1xcb n LEU 201 CO 0.46 -0.12 -0.14 0.59 -1.11 0.00 0.00 177.39 177.07 1xcb n ASN 202 N -1.46 -0.14 0.00 1.96 3.02 -1.03 -5.07 115.26 112.54 1xcb n ASN 202 Ca 0.06 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.60 1xcb n ASN 202 Cb 0.24 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1xcb n ASN 202 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99